Adsorption and Diffusion of Hydrogen Atom on Low-index Ag Planes

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The 5-parameter Morse potential (5-MP) of the interaction between H atom and Ag surfaces has been constructed. The adsorption and diffusion of H on Ag low-index surfaces are investigated with 5-MP in detail. The characteristics of critical points are obtained. The theoretical results show that H atom can only adsorb at the three-fold site on Ag(111); the quasi-3-fold site and long-bridge site are stable adsorption sites on Ag(110) surface for the H atom, and at low coverage hydrogen predominantly occupies the quasi-3-fold site. This work predicts that the four-fold hollow site is the most stable adsorption state for H atom on Ag(100). The results of this work are approved by the experimental and theoretical results. The 5-parameter Morse potential (5-MP) of the interaction between H atom and Ag surfaces has been constructed. The adsorption and diffusion of H on Ag low-index surfaces are investigated with 5-MP in detail. The characteristics of critical points the theoretical results show that H atom can only adsorb at the three-fold site on Ag (111); the quasi-3-fold site and long-bridge site are stable adsorption sites on Ag (110) surface for the H atom, and at low coverage hydrogen predominantly occupies the quasi-3-fold site. This work predicts that the four-fold hollow site is the most stable adsorption state for H atom on Ag (100). The results of this work are approved by the experimental and theoretical results.
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